5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide

C13H19N3O2 — CID 55213855

IUPAC5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN2CC3CCC2C3)cc1C(=O)NN
InChIInChI=1S/C13H19N3O2/c1-8-12(13(17)15-14)5-11(18-8)7-16-6-9-2-3-10(16)4-9/h5,9-10H,2-4,6-7,14H2,1H3,(H,15,17)
InChIKeyBFOWOCCZHZYZSI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.18
Rot. Bonds3

About 5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide

5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide (PubChem CID 55213855) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide
PubChem CID55213855
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN2CC3CCC2C3)cc1C(=O)NN
InChIInChI=1S/C13H19N3O2/c1-8-12(13(17)15-14)5-11(18-8)7-16-6-9-2-3-10(16)4-9/h5,9-10H,2-4,6-7,14H2,1H3,(H,15,17)
InChIKeyBFOWOCCZHZYZSI-UHFFFAOYSA-N
XLogP1.18
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide (CID 55213855) is 5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide is Cc1oc(CN2CC3CCC2C3)cc1C(=O)NN.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is BFOWOCCZHZYZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-12(13(17)15-14)5-11(18-8)7-16-6-9-2-3-10(16)4-9/h5,9-10H,2-4,6-7,14H2,1H3,(H,15,17).
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide?
5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 249.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 55213855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).